{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.213454 0.056957 0.210072 ] [ 0.213454 0.443043 0.210072 ] [ 0.786546 0.556957 0.789928 ] [ 0.786546 0.943043 0.789928 ] [ 0.778611 0.75 0.360048 ] [ 0.221389 0.25 0.639952 ] [ 0.727672 0.25 0.386764 ] [ 0.272328 0.75 0.613236 ] [ 0.743886 0.75 0.069021 ] [ 0.256114 0.25 0.930979 ] [ 0.261457 0.25 0.067308 ] [ 0.967779 0.75 0.14018 ] [ 0.53228 0.75 0.146639 ] [ 0.879073 0.05941 0.311979 ] [ 0.879073 0.44059 0.311979 ] [ 0.22735 0.75 0.428101 ] [ 0.399079 0.25 0.358528 ] [ 0.600921 0.75 0.641472 ] [ 0.77265 0.25 0.571899 ] [ 0.120927 0.55941 0.688021 ] [ 0.120927 0.94059 0.688021 ] [ 0.46772 0.25 0.853361 ] [ 0.032221 0.25 0.85982 ] [ 0.738543 0.75 0.932692 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "As" "As" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13904516 "source-unit" "angstrom" } "b" { "source-value" 7.17260209 "source-unit" "angstrom" } "c" { "source-value" 9.34412839 "source-unit" "angstrom" } "beta" { "source-value" 90.29749888 "source-unit" "degree" } }